5-[(dimethylamino)methyl]-1H-imidazole-4-carboxylic acid;hydrochloride

C7H12ClN3O2 — CID 14270017

IUPAC5-[(dimethylamino)methyl]-1H-imidazole-4-carboxylic acid;hydrochloride
SMILESCN(C)Cc1[nH]cnc1C(=O)O.Cl
InChIInChI=1S/C7H11N3O2.ClH/c1-10(2)3-5-6(7(11)12)9-4-8-5;/h4H,3H2,1-2H3,(H,8,9)(H,11,12);1H
InChIKeyPRFTVPLMHDNNCO-UHFFFAOYSA-N
MW205.65 g/mol
LogP0.59
Rot. Bonds3

About 5-[(dimethylamino)methyl]-1H-imidazole-4-carboxylic acid;hydrochloride

5-[(dimethylamino)methyl]-1H-imidazole-4-carboxylic acid;hydrochloride (PubChem CID 14270017) has the molecular formula C7H12ClN3O2 and a molecular weight of 205.65 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1H-imidazole-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1H-imidazole-4-carboxylic acid;hydrochloride
PubChem CID14270017
Molecular FormulaC7H12ClN3O2
Molecular Weight205.65 g/mol
Exact Mass205.06
IUPAC Name5-[(dimethylamino)methyl]-1H-imidazole-4-carboxylic acid;hydrochloride
SMILESCN(C)Cc1[nH]cnc1C(=O)O.Cl
InChIInChI=1S/C7H11N3O2.ClH/c1-10(2)3-5-6(7(11)12)9-4-8-5;/h4H,3H2,1-2H3,(H,8,9)(H,11,12);1H
InChIKeyPRFTVPLMHDNNCO-UHFFFAOYSA-N
XLogP0.59
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.65
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1H-imidazole-4-carboxylic acid;hydrochloride?
The IUPAC name of 5-[(dimethylamino)methyl]-1H-imidazole-4-carboxylic acid;hydrochloride (CID 14270017) is 5-[(dimethylamino)methyl]-1H-imidazole-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1H-imidazole-4-carboxylic acid;hydrochloride?
The canonical SMILES for 5-[(dimethylamino)methyl]-1H-imidazole-4-carboxylic acid;hydrochloride is CN(C)Cc1[nH]cnc1C(=O)O.Cl.
What is the InChIKey of 5-[(dimethylamino)methyl]-1H-imidazole-4-carboxylic acid;hydrochloride?
The InChIKey is PRFTVPLMHDNNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2.ClH/c1-10(2)3-5-6(7(11)12)9-4-8-5;/h4H,3H2,1-2H3,(H,8,9)(H,11,12);1H.
What are the key properties of 5-[(dimethylamino)methyl]-1H-imidazole-4-carboxylic acid;hydrochloride?
5-[(dimethylamino)methyl]-1H-imidazole-4-carboxylic acid;hydrochloride has a molecular weight of 205.65 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1H-imidazole-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 14270017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).